1-(2-methyl-1-benzofuran-6-yl)piperazine

C13H16N2O — CID 82614048

IUPAC1-(2-methyl-1-benzofuran-6-yl)piperazine
SMILESCc1cc2ccc(N3CCNCC3)cc2o1
InChIInChI=1S/C13H16N2O/c1-10-8-11-2-3-12(9-13(11)16-10)15-6-4-14-5-7-15/h2-3,8-9,14H,4-7H2,1H3
InChIKeyKTDCBQSELJIPHF-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.15
Rot. Bonds1

About 1-(2-methyl-1-benzofuran-6-yl)piperazine

1-(2-methyl-1-benzofuran-6-yl)piperazine (PubChem CID 82614048) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(2-methyl-1-benzofuran-6-yl)piperazine.

Molecular Properties

Compound Name1-(2-methyl-1-benzofuran-6-yl)piperazine
PubChem CID82614048
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(2-methyl-1-benzofuran-6-yl)piperazine
SMILESCc1cc2ccc(N3CCNCC3)cc2o1
InChIInChI=1S/C13H16N2O/c1-10-8-11-2-3-12(9-13(11)16-10)15-6-4-14-5-7-15/h2-3,8-9,14H,4-7H2,1H3
InChIKeyKTDCBQSELJIPHF-UHFFFAOYSA-N
XLogP2.15
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethyl-1-benzofuran-6-yl)piperazine
CID 84726276
3-(4-methyl-1,3-thiazol-2-yl)-7-piperazin-1-ylchromen-2-one
CID 71622539
1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536
2-(2-methylpropyl)-5-piperazin-1-yl-1,3-benzoxazole
CID 82232893
N,N,2-trimethyl-5-piperazin-1-ylaniline
CID 115378435
ethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide
CID 144805378
2,4-dimethyl-6-(4-piperazin-1-ylphenyl)pyrimidine
CID 82487680
ethane;1-(3-methoxy-4-methylphenyl)piperazine
CID 144693036
2-methyl-5-piperazin-1-ylbenzonitrile
CID 84670211
(2-methyl-5-piperazin-1-ylphenyl)methanol
CID 84779190
3-(1,3-benzothiazol-2-yl)-7-piperazin-1-ylchromen-2-one
CID 71621990
1-(4-bromo-3-methylphenyl)piperazine;hydrochloride
CID 21071017

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-benzofuran-6-yl)piperazine?
The IUPAC name of 1-(2-methyl-1-benzofuran-6-yl)piperazine (CID 82614048) is 1-(2-methyl-1-benzofuran-6-yl)piperazine.
What is the SMILES notation for 1-(2-methyl-1-benzofuran-6-yl)piperazine?
The canonical SMILES for 1-(2-methyl-1-benzofuran-6-yl)piperazine is Cc1cc2ccc(N3CCNCC3)cc2o1.
What is the InChIKey of 1-(2-methyl-1-benzofuran-6-yl)piperazine?
The InChIKey is KTDCBQSELJIPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-8-11-2-3-12(9-13(11)16-10)15-6-4-14-5-7-15/h2-3,8-9,14H,4-7H2,1H3.
What are the key properties of 1-(2-methyl-1-benzofuran-6-yl)piperazine?
1-(2-methyl-1-benzofuran-6-yl)piperazine has a molecular weight of 216.28 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-benzofuran-6-yl)piperazine is sourced from PubChem (CID 82614048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).